SCHEMBL11079368

SCHEMBL11079368

COCC(CC(=O)O)C(=O)Nc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
POLB P06746 2/20 0.48
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11077493 0.85 ALDH1A1 (0.50) PARP1PARP10ALDH1A1HPGDMAPT
SCHEMBL11081470 0.85 TSHR (0.57) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL11080133 0.77 PARP1 (0.53) GAAPOLBPARP1PARP10ALDH1A1
SCHEMBL11090641 0.77 GAA (0.56) GAAPOLBPARP1PARP10ALDH1A1
SCHEMBL11089450 0.76 ATM (0.46) POLBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11090036 0.76 ALDH1A1 (0.52) GAAPOLBALDH1A1HPGDMAPT
SCHEMBL3132889 0.75 CA1 (0.63) GAAALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL1851629 0.74 GAA (0.58) GAAPOLBALDH1A1HPGDMAPT
SCHEMBL34460125 0.73 ALDH1A1 (0.75) GAAALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL14519972 0.73 ALDH1A1 (0.75) GAAALDH1A1HPGDMAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460782-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1984-07-17 US disclosed